3-(1H-pyrazol-5-ylsulfonylamino)butanamide

C7H12N4O3S — CID 102693407

IUPAC3-(1H-pyrazol-5-ylsulfonylamino)butanamide
SMILESCC(CC(N)=O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H12N4O3S/c1-5(4-6(8)12)11-15(13,14)7-2-3-9-10-7/h2-3,5,11H,4H2,1H3,(H2,8,12)(H,9,10)
InChIKeyZYJYNHLOWLEDEV-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.05
Rot. Bonds5

About 3-(1H-pyrazol-5-ylsulfonylamino)butanamide

3-(1H-pyrazol-5-ylsulfonylamino)butanamide (PubChem CID 102693407) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylsulfonylamino)butanamide
PubChem CID102693407
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name3-(1H-pyrazol-5-ylsulfonylamino)butanamide
SMILESCC(CC(N)=O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H12N4O3S/c1-5(4-6(8)12)11-15(13,14)7-2-3-9-10-7/h2-3,5,11H,4H2,1H3,(H2,8,12)(H,9,10)
InChIKeyZYJYNHLOWLEDEV-UHFFFAOYSA-N
XLogP-1.05
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690640
N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691738
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
CID 102692367
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)butanamide?
The IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)butanamide (CID 102693407) is 3-(1H-pyrazol-5-ylsulfonylamino)butanamide.
What is the SMILES notation for 3-(1H-pyrazol-5-ylsulfonylamino)butanamide?
The canonical SMILES for 3-(1H-pyrazol-5-ylsulfonylamino)butanamide is CC(CC(N)=O)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylsulfonylamino)butanamide?
The InChIKey is ZYJYNHLOWLEDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-5(4-6(8)12)11-15(13,14)7-2-3-9-10-7/h2-3,5,11H,4H2,1H3,(H2,8,12)(H,9,10).
What are the key properties of 3-(1H-pyrazol-5-ylsulfonylamino)butanamide?
3-(1H-pyrazol-5-ylsulfonylamino)butanamide has a molecular weight of 232.26 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylsulfonylamino)butanamide is sourced from PubChem (CID 102693407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).